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Capturing the Electron-Phonon Renormalization in Molecules from First-Principles

Shang, HH; Yang, JL

Shang, HH (corresponding author), Chinese Acad Sci, Inst Comp Technol, State Key Lab Comp Architecture, Beijing 100190, Peoples R China.

JOURNAL OF PHYSICAL CHEMISTRY A, 2021; 125 (12): 2682

Abstract

Since the interaction between electrons and atomic nuclei can affect the electronic structure, in recent years, first-principles-based electron-phonon......

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